SCHEMBL3236636

SCHEMBL3236636

OCCCC(c1ccc(F)cc1)N1CCN(c2ncc(F)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ DRD2 P14416 1/20 0.58
▸ OGA O60502 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9766077 0.85 SIGMAR1 (0.54) SIGMAR1KDM4ECYP1A2GAACYP2C9
Hydrochloric Acid SCHEMBL10844029 0.82 SIGMAR1 (0.41) SIGMAR1KDM4ECYP1A2GAACYP2C9
Bmy-14802 SCHEMBL8457738 0.73 SIGMAR1 (1.00) SIGMAR1KDM4ECYP1A2GAACYP2C9
Bmy-14802 SCHEMBL467229 0.73 SIGMAR1 (1.00) SIGMAR1KDM4ECYP1A2GAACYP2C9
Bmy-14802 SCHEMBL10843594 0.72 SIGMAR1 (0.97) SIGMAR1KDM4ECYP1A2GAACYP2C9
Bmy-14802 SCHEMBL466842 0.72 SIGMAR1 (0.97) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9602967 0.72 SIGMAR1 (0.79) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL30350966 0.70 SIGMAR1 (0.66) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9766050 0.68 SIGMAR1 (0.71) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL9765987 0.68 SIGMAR1 (0.75) SIGMAR1KDM4ECYP1A2GAACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015040-A1 THERAPY AND PREVENTION OF TDP-43 PROTEINOPATHY POWMRI LTD (AU) 2010-02-11 — — WO claimed
WO-2010015040-A1 THERAPY AND PREVENTION OF TDP-43 PROTEINOPATHY POWMRI LTD (AU) 2010-02-11 — — WO disclosed
WO-1994016685-A1 OPHTHALMIC USES OF SIGNA AGONISTS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1994-08-04 — — WO disclosed
Send feedback